Home Other Building Blocks 8-acetyl-2,3,4,5-tetrahydro-1H-2-benzazepin-3-one

8-acetyl-2,3,4,5-tetrahydro-1H-2-benzazepin-3-one

CAS No.:
160300-38-9
Catalog Number:
AG01ELPB
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
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Product Description
Catalog Number:
AG01ELPB
Chemical Name:
8-acetyl-2,3,4,5-tetrahydro-1H-2-benzazepin-3-one
CAS Number:
160300-38-9
Molecular Formula:
C12H13NO2
Molecular Weight:
203.2371
MDL Number:
MFCD24596450
IUPAC Name:
8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one
InChI:
InChI=1S/C12H13NO2/c1-8(14)10-3-2-9-4-5-12(15)13-7-11(9)6-10/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChI Key:
AOXVDRXLIUVAFI-UHFFFAOYSA-N
SMILES:
O=C1NCc2c(CC1)ccc(c2)C(=O)C
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
203.241g/mol
Monoisotopic Mass:
203.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties